Thermal shock resistance of various two-dimensional materials: a comparative analysis

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Ultrafast thermomechanical response of 2D materials is vital for nanoelectronics and thermal management.
• Understanding thermal shock resistance is key for material selection in demanding applications.

Purpose of the Study:

• To systematically evaluate the thermal shock resistance of various 2D materials using molecular dynamics simulations.
• To establish correlations between lattice topology and non-equilibrium thermomechanical behavior.

Main Methods:

• Utilized molecular dynamics simulations to model thermal shock events.
• Applied localized, rapid temperature increases to generate and analyze stress waves.
• Assessed wave-propagation velocity, decay rate, energy dissipation, atomic displacement, and temperature changes.

Main Results:

• Graphene and C3N demonstrated exceptional thermal shock tolerance with high wave speeds and minimal attenuation.
• C3N showed nearly undamped stress wave propagation.
• Borophene exhibited anisotropic behavior, while biphenylene and BC3 showed significant damping and structural irregularities.
• Strong correlations were found between lattice topology and thermomechanical response.

Conclusions:

• Lattice topology, bonding structure, coordination, and symmetry dictate thermal shock resistance in 2D materials.
• Provides a benchmark for transient thermal-mechanical performance of 2D materials.
• Offers guidance for designing atomically thin systems for high-thermal-demand applications.